1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole

C23H18F2N2O — CID 175419791

IUPAC1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole
SMILESFC(F)Oc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
InChIInChI=1S/C23H18F2N2O/c24-22(25)28-21-15-8-7-14-20(21)23(27-17-9-16-26-27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,22H
InChIKeyDHXNUTIALAJPBA-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.32
Rot. Bonds6

About 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole

1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole (PubChem CID 175419791) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole
PubChem CID175419791
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole
SMILESFC(F)Oc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
InChIInChI=1S/C23H18F2N2O/c24-22(25)28-21-15-8-7-14-20(21)23(27-17-9-16-26-27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,22H
InChIKeyDHXNUTIALAJPBA-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole (CID 175419791) is 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole is FC(F)Oc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole?
The InChIKey is DHXNUTIALAJPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O/c24-22(25)28-21-15-8-7-14-20(21)23(27-17-9-16-26-27,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,22H.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole?
1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole has a molecular weight of 376.41 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]-diphenylmethyl]pyrazole is sourced from PubChem (CID 175419791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).